methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate

C11H21NO3 — CID 61233938

IUPACmethyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(C)CC1CCCCO1
InChIInChI=1S/C11H21NO3/c1-12(7-6-11(13)14-2)9-10-5-3-4-8-15-10/h10H,3-9H2,1-2H3
InChIKeyXFMJDZANYLVRCB-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.05
Rot. Bonds5

About methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate

methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate (PubChem CID 61233938) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
PubChem CID61233938
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(C)CC1CCCCO1
InChIInChI=1S/C11H21NO3/c1-12(7-6-11(13)14-2)9-10-5-3-4-8-15-10/h10H,3-9H2,1-2H3
InChIKeyXFMJDZANYLVRCB-UHFFFAOYSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate
CID 78960585
methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate
CID 113237140
methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 114448994
methyl 3-[2-methylpropyl(oxolan-2-ylmethyl)amino]propanoate
CID 60606291
methyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate
CID 54979906
methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964574
methyl 3-[3,3-dimethylbutanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964270
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081
methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 61434381
methyl 3-[3-methylbut-2-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964303
methyl 3-[(3,5-dimethylcyclohexyl)-(oxolan-2-ylmethyl)amino]propanoate
CID 115536615

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate (CID 61233938) is methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate is COC(=O)CCN(C)CC1CCCCO1.
What is the InChIKey of methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate?
The InChIKey is XFMJDZANYLVRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-12(7-6-11(13)14-2)9-10-5-3-4-8-15-10/h10H,3-9H2,1-2H3.
What are the key properties of methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate?
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate has a molecular weight of 215.29 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 61233938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).